1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine

C17H33N — CID 106656618

IUPAC1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C(C)CCC
InChIInChI=1S/C17H33N/c1-4-11-15(3)17(18-14-5-2)16-12-9-7-6-8-10-13-16/h12,15,17-18H,4-11,13-14H2,1-3H3
InChIKeyIVFUMDVZWQJMTM-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.07
Rot. Bonds7

About 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine

1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 106656618) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID106656618
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C(C)CCC
InChIInChI=1S/C17H33N/c1-4-11-15(3)17(18-14-5-2)16-12-9-7-6-8-10-13-16/h12,15,17-18H,4-11,13-14H2,1-3H3
InChIKeyIVFUMDVZWQJMTM-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-pentan-2-ylcyclopentene
CID 21242449
1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 55195514
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine (CID 106656618) is 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(C1=CCCCCCC1)C(C)CCC.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is IVFUMDVZWQJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-11-15(3)17(18-14-5-2)16-12-9-7-6-8-10-13-16/h12,15,17-18H,4-11,13-14H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine?
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 106656618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).